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Grundmeier, “Spray coating of poly(acrylic acid)/ZnO tetrapod adhesion promoting nanocomposite films for polymer laminates,” <i>Surface and Coatings Technology</i>, pp. 112–122, 2019."},"year":"2019","publication_identifier":{"issn":["0257-8972"]},"publication_status":"published","language":[{"iso":"eng"}],"department":[{"_id":"302"}],"user_id":"32378","_id":"22687","status":"public","publication":"Surface and Coatings Technology","type":"journal_article"},{"type":"journal_article","publication":"The Journal of Physical Chemistry Letters","status":"public","_id":"15738","user_id":"71692","department":[{"_id":"304"}],"language":[{"iso":"eng"}],"publication_status":"published","publication_identifier":{"issn":["1948-7185","1948-7185"]},"year":"2019","citation":{"ama":"Ohto T, Dodia M, Xu J, et al. 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Preiß, A. Päpcke, L. Burkhardt, L. Großmann, S. Lochbrunner, M. Bauer, T. Opatz, K. Heinze, Chemistry – A European Journal (2019) 5940–5949.","bibtex":"@article{Preiß_Päpcke_Burkhardt_Großmann_Lochbrunner_Bauer_Opatz_Heinze_2019, title={Gold(II) Porphyrins in Photoinduced Electron Transfer Reactions}, DOI={<a href=\"https://doi.org/10.1002/chem.201900050\">10.1002/chem.201900050</a>}, journal={Chemistry – A European Journal}, author={Preiß, Sebastian and Päpcke, Ayla and Burkhardt, Lukas and Großmann, Luca and Lochbrunner, Stefan and Bauer, Matthias and Opatz, Till and Heinze, Katja}, year={2019}, pages={5940–5949} }","apa":"Preiß, S., Päpcke, A., Burkhardt, L., Großmann, L., Lochbrunner, S., Bauer, M., … Heinze, K. (2019). Gold(II) Porphyrins in Photoinduced Electron Transfer Reactions. <i>Chemistry – A European Journal</i>, 5940–5949. <a href=\"https://doi.org/10.1002/chem.201900050\">https://doi.org/10.1002/chem.201900050</a>","ieee":"S. Preiß <i>et al.</i>, “Gold(II) Porphyrins in Photoinduced Electron Transfer Reactions,” <i>Chemistry – A European Journal</i>, pp. 5940–5949, 2019.","chicago":"Preiß, Sebastian, Ayla Päpcke, Lukas Burkhardt, Luca Großmann, Stefan Lochbrunner, Matthias Bauer, Till Opatz, and Katja Heinze. “Gold(II) Porphyrins in Photoinduced Electron Transfer Reactions.” <i>Chemistry – A European Journal</i>, 2019, 5940–49. <a href=\"https://doi.org/10.1002/chem.201900050\">https://doi.org/10.1002/chem.201900050</a>.","ama":"Preiß S, Päpcke A, Burkhardt L, et al. Gold(II) Porphyrins in Photoinduced Electron Transfer Reactions. <i>Chemistry – A European Journal</i>. 2019:5940-5949. doi:<a href=\"https://doi.org/10.1002/chem.201900050\">10.1002/chem.201900050</a>"},"page":"5940-5949"},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"16320","user_id":"54038","department":[{"_id":"35"},{"_id":"306"},{"_id":"304"}],"language":[{"iso":"eng"}],"type":"journal_article","publication":"The Journal of Physical Chemistry A","status":"public","date_updated":"2022-01-06T06:52:48Z","date_created":"2020-03-23T10:58:15Z","author":[{"first_name":"Patrick","orcid":"0000-0003-1103-4073","last_name":"Müller","id":"54037","full_name":"Müller, Patrick"},{"first_name":"Adam","full_name":"Neuba, Adam","last_name":"Neuba"},{"full_name":"Flörke, Ulrich","last_name":"Flörke","first_name":"Ulrich"},{"first_name":"Gerald","full_name":"Henkel, Gerald","last_name":"Henkel"},{"first_name":"Thomas D.","last_name":"Kühne","full_name":"Kühne, Thomas D."},{"full_name":"Bauer, Matthias","id":"47241","last_name":"Bauer","first_name":"Matthias"}],"title":"Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes","doi":"10.1021/acs.jpca.9b00463","publication_status":"published","publication_identifier":{"issn":["1089-5639","1520-5215"]},"year":"2019","citation":{"ama":"Müller P, Neuba A, Flörke U, Henkel G, Kühne TD, Bauer M. Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes. <i>The Journal of Physical Chemistry A</i>. 2019:3575-3581. doi:<a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">10.1021/acs.jpca.9b00463</a>","ieee":"P. Müller, A. Neuba, U. Flörke, G. Henkel, T. D. Kühne, and M. Bauer, “Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes,” <i>The Journal of Physical Chemistry A</i>, pp. 3575–3581, 2019.","chicago":"Müller, Patrick, Adam Neuba, Ulrich Flörke, Gerald Henkel, Thomas D. Kühne, and Matthias Bauer. “Experimental and Theoretical High Energy Resolution Hard X-Ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes.” <i>The Journal of Physical Chemistry A</i>, 2019, 3575–81. <a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">https://doi.org/10.1021/acs.jpca.9b00463</a>.","apa":"Müller, P., Neuba, A., Flörke, U., Henkel, G., Kühne, T. D., &#38; Bauer, M. (2019). Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes. <i>The Journal of Physical Chemistry A</i>, 3575–3581. <a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">https://doi.org/10.1021/acs.jpca.9b00463</a>","bibtex":"@article{Müller_Neuba_Flörke_Henkel_Kühne_Bauer_2019, title={Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes}, DOI={<a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">10.1021/acs.jpca.9b00463</a>}, journal={The Journal of Physical Chemistry A}, author={Müller, Patrick and Neuba, Adam and Flörke, Ulrich and Henkel, Gerald and Kühne, Thomas D. and Bauer, Matthias}, year={2019}, pages={3575–3581} }","short":"P. Müller, A. Neuba, U. Flörke, G. Henkel, T.D. Kühne, M. Bauer, The Journal of Physical Chemistry A (2019) 3575–3581.","mla":"Müller, Patrick, et al. “Experimental and Theoretical High Energy Resolution Hard X-Ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes.” <i>The Journal of Physical Chemistry A</i>, 2019, pp. 3575–81, doi:<a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">10.1021/acs.jpca.9b00463</a>."},"page":"3575-3581"},{"title":"\t Probing Iron-Ligand interactions by combining modern high-resolution hard X-ray spectroscopy and density functional theory : a powerful methodology in cases where conventional methods fail / vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]","main_file_link":[{"url":"http://digital.ub.uni-paderborn.de/hs/content/titleinfo/3130461"}],"doi":"10.17619/UNIPB/1-745","date_updated":"2022-01-06T06:52:49Z","author":[{"full_name":"Burkhardt, Lukas","id":"54038","orcid":"0000-0003-0747-9811","last_name":"Burkhardt","first_name":"Lukas"}],"supervisor":[{"first_name":"Matthias","last_name":"Bauer","full_name":"Bauer, Matthias","id":"47241"}],"date_created":"2020-03-23T11:08:22Z","place":"Paderborn","year":"2019","citation":{"chicago":"Burkhardt, Lukas. <i>  Probing Iron-Ligand Interactions by Combining Modern High-Resolution Hard X-Ray Spectroscopy and Density Functional Theory : A Powerful Methodology in Cases Where Conventional Methods Fail / Vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]</i>. Paderborn, 2019. <a href=\"https://doi.org/10.17619/UNIPB/1-745\">https://doi.org/10.17619/UNIPB/1-745</a>.","ieee":"L. Burkhardt, <i>  Probing Iron-Ligand interactions by combining modern high-resolution hard X-ray spectroscopy and density functional theory : a powerful methodology in cases where conventional methods fail / vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]</i>. Paderborn, 2019.","ama":"Burkhardt L. <i>  Probing Iron-Ligand Interactions by Combining Modern High-Resolution Hard X-Ray Spectroscopy and Density Functional Theory : A Powerful Methodology in Cases Where Conventional Methods Fail / Vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]</i>. Paderborn; 2019. doi:<a href=\"https://doi.org/10.17619/UNIPB/1-745\">10.17619/UNIPB/1-745</a>","bibtex":"@book{Burkhardt_2019, place={Paderborn}, title={  Probing Iron-Ligand interactions by combining modern high-resolution hard X-ray spectroscopy and density functional theory : a powerful methodology in cases where conventional methods fail / vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]}, DOI={<a href=\"https://doi.org/10.17619/UNIPB/1-745\">10.17619/UNIPB/1-745</a>}, author={Burkhardt, Lukas}, year={2019} }","mla":"Burkhardt, Lukas. <i>  Probing Iron-Ligand Interactions by Combining Modern High-Resolution Hard X-Ray Spectroscopy and Density Functional Theory : A Powerful Methodology in Cases Where Conventional Methods Fail / Vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]</i>. 2019, doi:<a href=\"https://doi.org/10.17619/UNIPB/1-745\">10.17619/UNIPB/1-745</a>.","short":"L. Burkhardt,   Probing Iron-Ligand Interactions by Combining Modern High-Resolution Hard X-Ray Spectroscopy and Density Functional Theory : A Powerful Methodology in Cases Where Conventional Methods Fail / Vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)], Paderborn, 2019.","apa":"Burkhardt, L. (2019). <i>  Probing Iron-Ligand interactions by combining modern high-resolution hard X-ray spectroscopy and density functional theory : a powerful methodology in cases where conventional methods fail / vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]</i>. Paderborn. <a href=\"https://doi.org/10.17619/UNIPB/1-745\">https://doi.org/10.17619/UNIPB/1-745</a>"},"publication_status":"published","language":[{"iso":"eng"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"16325","user_id":"54038","department":[{"_id":"43"},{"_id":"35"},{"_id":"306"}],"status":"public","type":"dissertation"},{"place":"Paderborn","year":"2019","citation":{"chicago":"Müller, Patrick. <i>  Experimental and Theoretical (High Energy Resolution) X-Ray Absorption and Emission Spectroscopy / Vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]</i>. Paderborn, 2019. <a href=\"https://doi.org/10.17619/UNIPB/1-705\">https://doi.org/10.17619/UNIPB/1-705</a>.","ieee":"P. Müller, <i>  Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy / vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]</i>. Paderborn, 2019.","ama":"Müller P. <i>  Experimental and Theoretical (High Energy Resolution) X-Ray Absorption and Emission Spectroscopy / Vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]</i>. Paderborn; 2019. doi:<a href=\"https://doi.org/10.17619/UNIPB/1-705\">10.17619/UNIPB/1-705</a>","apa":"Müller, P. (2019). <i>  Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy / vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]</i>. Paderborn. <a href=\"https://doi.org/10.17619/UNIPB/1-705\">https://doi.org/10.17619/UNIPB/1-705</a>","mla":"Müller, Patrick. <i>  Experimental and Theoretical (High Energy Resolution) X-Ray Absorption and Emission Spectroscopy / Vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]</i>. 2019, doi:<a href=\"https://doi.org/10.17619/UNIPB/1-705\">10.17619/UNIPB/1-705</a>.","bibtex":"@book{Müller_2019, place={Paderborn}, title={  Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy / vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]}, DOI={<a href=\"https://doi.org/10.17619/UNIPB/1-705\">10.17619/UNIPB/1-705</a>}, author={Müller, Patrick}, year={2019} }","short":"P. Müller,   Experimental and Theoretical (High Energy Resolution) X-Ray Absorption and Emission Spectroscopy / Vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt], Paderborn, 2019."},"date_updated":"2022-01-06T06:52:49Z","author":[{"full_name":"Müller, Patrick","id":"54037","orcid":"0000-0003-1103-4073","last_name":"Müller","first_name":"Patrick"}],"supervisor":[{"id":"47241","full_name":"Bauer, Matthias","last_name":"Bauer","first_name":"Matthias"}],"date_created":"2020-03-23T11:10:56Z","title":"\t Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy / vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]","main_file_link":[{"url":"https://digital.ub.uni-paderborn.de/hs/id/3103462"}],"doi":"10.17619/UNIPB/1-705","type":"dissertation","status":"public","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"16327","user_id":"54038","department":[{"_id":"43"},{"_id":"35"},{"_id":"306"},{"_id":"304"}],"language":[{"iso":"eng"}]},{"citation":{"ama":"Kodalle T, Kormath Madam Raghupathy R, Bertram T, et al. Properties of Co-Evaporated RbInSe2 Thin Films. <i>physica status solidi (RRL)--Rapid Research Letters</i>. 2019;13(3):1800564. doi:<a href=\"https://doi.org/10.1002/pssr.201800564\">10.1002/pssr.201800564</a>","chicago":"Kodalle, Tim, Ramya Kormath Madam Raghupathy, Tobias Bertram, Natalia Maticiuc, Hasan A Yetkin, René Gunder, Rutger Schlatmann, Thomas D Kühne, Christian A Kaufmann, and Hossein Mirhosseini. “Properties of Co-Evaporated RbInSe2 Thin Films.” <i>Physica Status Solidi (RRL)--Rapid Research Letters</i> 13, no. 3 (2019): 1800564. <a href=\"https://doi.org/10.1002/pssr.201800564\">https://doi.org/10.1002/pssr.201800564</a>.","ieee":"T. Kodalle <i>et al.</i>, “Properties of Co-Evaporated RbInSe2 Thin Films,” <i>physica status solidi (RRL)--Rapid Research Letters</i>, vol. 13, no. 3, p. 1800564, 2019.","bibtex":"@article{Kodalle_Kormath Madam Raghupathy_Bertram_Maticiuc_Yetkin_Gunder_Schlatmann_Kühne_Kaufmann_Mirhosseini_2019, title={Properties of Co-Evaporated RbInSe2 Thin Films}, volume={13}, DOI={<a href=\"https://doi.org/10.1002/pssr.201800564\">10.1002/pssr.201800564</a>}, number={3}, journal={physica status solidi (RRL)--Rapid Research Letters}, publisher={John Wiley &#38; Sons, Ltd}, author={Kodalle, Tim and Kormath Madam Raghupathy, Ramya and Bertram, Tobias and Maticiuc, Natalia and Yetkin, Hasan A and Gunder, René and Schlatmann, Rutger and Kühne, Thomas D and Kaufmann, Christian A and Mirhosseini, Hossein}, year={2019}, pages={1800564} }","short":"T. Kodalle, R. Kormath Madam Raghupathy, T. Bertram, N. Maticiuc, H.A. Yetkin, R. Gunder, R. Schlatmann, T.D. Kühne, C.A. Kaufmann, H. Mirhosseini, Physica Status Solidi (RRL)--Rapid Research Letters 13 (2019) 1800564.","mla":"Kodalle, Tim, et al. “Properties of Co-Evaporated RbInSe2 Thin Films.” <i>Physica Status Solidi (RRL)--Rapid Research Letters</i>, vol. 13, no. 3, John Wiley &#38; Sons, Ltd, 2019, p. 1800564, doi:<a href=\"https://doi.org/10.1002/pssr.201800564\">10.1002/pssr.201800564</a>.","apa":"Kodalle, T., Kormath Madam Raghupathy, R., Bertram, T., Maticiuc, N., Yetkin, H. A., Gunder, R., … Mirhosseini, H. (2019). Properties of Co-Evaporated RbInSe2 Thin Films. <i>Physica Status Solidi (RRL)--Rapid Research Letters</i>, <i>13</i>(3), 1800564. <a href=\"https://doi.org/10.1002/pssr.201800564\">https://doi.org/10.1002/pssr.201800564</a>"},"page":"1800564","intvolume":"        13","year":"2019","issue":"3","publication_status":"published","doi":"10.1002/pssr.201800564","title":"Properties of Co-Evaporated RbInSe2 Thin Films","author":[{"first_name":"Tim","full_name":"Kodalle, Tim","last_name":"Kodalle"},{"first_name":"Ramya","last_name":"Kormath Madam Raghupathy","orcid":"https://orcid.org/0000-0003-4667-9744","id":"71692","full_name":"Kormath Madam Raghupathy, Ramya"},{"first_name":"Tobias","full_name":"Bertram, Tobias","last_name":"Bertram"},{"first_name":"Natalia","last_name":"Maticiuc","full_name":"Maticiuc, Natalia"},{"full_name":"Yetkin, Hasan A","last_name":"Yetkin","first_name":"Hasan A"},{"first_name":"René","full_name":"Gunder, René","last_name":"Gunder"},{"first_name":"Rutger","last_name":"Schlatmann","full_name":"Schlatmann, Rutger"},{"first_name":"Thomas D","last_name":"Kühne","full_name":"Kühne, Thomas D"},{"full_name":"Kaufmann, Christian A","last_name":"Kaufmann","first_name":"Christian A"},{"first_name":"Hossein","orcid":"https://orcid.org/0000-0001-6179-1545","last_name":"Mirhosseini","full_name":"Mirhosseini, Hossein","id":"71051"}],"date_created":"2019-09-13T12:53:03Z","volume":13,"date_updated":"2022-01-06T06:51:31Z","publisher":"John Wiley & Sons, Ltd","status":"public","type":"journal_article","publication":"physica status solidi (RRL)--Rapid Research Letters","language":[{"iso":"eng"}],"user_id":"71692","department":[{"_id":"304"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13211"},{"issue":"0","publication_status":"published","intvolume":"        20","page":"1-6","citation":{"ama":"Clark T, Heske JJ, Kühne T. Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O. <i>ChemPhysChem</i>. 2019;20(0):1-6. doi:<a href=\"https://doi.org/10.1002/cphc.201900839\">10.1002/cphc.201900839</a>","ieee":"T. Clark, J. J. Heske, and T. Kühne, “Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O,” <i>ChemPhysChem</i>, vol. 20, no. 0, pp. 1–6, 2019.","chicago":"Clark, Timothy, Julian Joachim Heske, and Thomas Kühne. “Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O.” <i>ChemPhysChem</i> 20, no. 0 (2019): 1–6. <a href=\"https://doi.org/10.1002/cphc.201900839\">https://doi.org/10.1002/cphc.201900839</a>.","apa":"Clark, T., Heske, J. J., &#38; Kühne, T. (2019). Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O. <i>ChemPhysChem</i>, <i>20</i>(0), 1–6. <a href=\"https://doi.org/10.1002/cphc.201900839\">https://doi.org/10.1002/cphc.201900839</a>","bibtex":"@article{Clark_Heske_Kühne_2019, title={Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O}, volume={20}, DOI={<a href=\"https://doi.org/10.1002/cphc.201900839\">10.1002/cphc.201900839</a>}, number={0}, journal={ChemPhysChem}, author={Clark, Timothy and Heske, Julian Joachim and Kühne, Thomas}, year={2019}, pages={1–6} }","short":"T. Clark, J.J. Heske, T. Kühne, ChemPhysChem 20 (2019) 1–6.","mla":"Clark, Timothy, et al. “Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O.” <i>ChemPhysChem</i>, vol. 20, no. 0, 2019, pp. 1–6, doi:<a href=\"https://doi.org/10.1002/cphc.201900839\">10.1002/cphc.201900839</a>."},"year":"2019","volume":20,"author":[{"last_name":"Clark","full_name":"Clark, Timothy","first_name":"Timothy"},{"last_name":"Heske","id":"53238","full_name":"Heske, Julian Joachim","first_name":"Julian Joachim"},{"last_name":"Kühne","id":"49079","full_name":"Kühne, Thomas","first_name":"Thomas"}],"date_created":"2019-09-13T13:41:57Z","date_updated":"2022-01-06T06:51:31Z","doi":"10.1002/cphc.201900839","title":"Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O","publication":"ChemPhysChem","type":"journal_article","status":"public","abstract":[{"lang":"eng","text":"Abstract The effect of extending the O−H bond length(s) in water on the hydrogen-bonding strength has been investigated using static ab initio molecular orbital calculations. The “polar flattening” effect that causes a slight σ-hole to form on hydrogen atoms is strengthened when the bond is stretched, so that the σ-hole becomes more positive and hydrogen bonding stronger. In opposition to this electronic effect, path-integral ab initio molecular-dynamics simulations show that the nuclear quantum effect weakens the hydrogen bond in the water dimer. Thus, static electronic effects strengthen the hydrogen bond in H2O relative to D2O, whereas nuclear quantum effects weaken it. These quantum fluctuations are stronger for the water dimer than in bulk water."}],"department":[{"_id":"304"}],"user_id":"71692","_id":"13225","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"language":[{"iso":"eng"}],"keyword":["ab initio calculations","bond theory","hydrogen bonds","isotope effects","solvent effects"]},{"issue":"0","publication_status":"published","citation":{"bibtex":"@article{Kaliannan_Henao Aristizabal_Wiebeler_Zysk_Ohto_Nagata_D. Kühne_2019, title={Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface}, volume={0}, DOI={<a href=\"https://doi.org/10.1080/00268976.2019.1620358\">10.1080/00268976.2019.1620358</a>}, number={0}, journal={Molecular Physics}, publisher={Taylor &#38; Francis}, author={Kaliannan, Naveen Kumar  and Henao Aristizabal, Andres and Wiebeler, Hendrik and Zysk, Frederik and Ohto, Tatsuhiko and Nagata, Yuki and D. Kühne, Thomas}, year={2019}, pages={1–10} }","short":"N.K. Kaliannan, A. Henao Aristizabal, H. Wiebeler, F. Zysk, T. Ohto, Y. Nagata, T. D. Kühne, Molecular Physics 0 (2019) 1–10.","mla":"Kaliannan, Naveen Kumar, et al. “Impact of Intermolecular Vibrational Coupling Effects on the Sum-Frequency Generation Spectra of the Water/Air Interface.” <i>Molecular Physics</i>, vol. 0, no. 0, Taylor &#38; Francis, 2019, pp. 1–10, doi:<a href=\"https://doi.org/10.1080/00268976.2019.1620358\">10.1080/00268976.2019.1620358</a>.","apa":"Kaliannan, N. K., Henao Aristizabal, A., Wiebeler, H., Zysk, F., Ohto, T., Nagata, Y., &#38; D. Kühne, T. (2019). Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface. <i>Molecular Physics</i>, <i>0</i>(0), 1–10. <a href=\"https://doi.org/10.1080/00268976.2019.1620358\">https://doi.org/10.1080/00268976.2019.1620358</a>","ama":"Kaliannan NK, Henao Aristizabal A, Wiebeler H, et al. Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface. <i>Molecular Physics</i>. 2019;0(0):1-10. doi:<a href=\"https://doi.org/10.1080/00268976.2019.1620358\">10.1080/00268976.2019.1620358</a>","chicago":"Kaliannan, Naveen Kumar , Andres Henao Aristizabal, Hendrik Wiebeler, Frederik Zysk, Tatsuhiko Ohto, Yuki Nagata, and Thomas D. Kühne. “Impact of Intermolecular Vibrational Coupling Effects on the Sum-Frequency Generation Spectra of the Water/Air Interface.” <i>Molecular Physics</i> 0, no. 0 (2019): 1–10. <a href=\"https://doi.org/10.1080/00268976.2019.1620358\">https://doi.org/10.1080/00268976.2019.1620358</a>.","ieee":"N. K. Kaliannan <i>et al.</i>, “Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface,” <i>Molecular Physics</i>, vol. 0, no. 0, pp. 1–10, 2019."},"page":"1-10","year":"2019","date_created":"2019-09-16T10:26:49Z","author":[{"full_name":"Kaliannan, Naveen Kumar ","last_name":"Kaliannan","first_name":"Naveen Kumar "},{"first_name":"Andres","last_name":"Henao Aristizabal","full_name":"Henao Aristizabal, Andres"},{"full_name":"Wiebeler, Hendrik","last_name":"Wiebeler","first_name":"Hendrik"},{"full_name":"Zysk, Frederik","last_name":"Zysk","first_name":"Frederik"},{"first_name":"Tatsuhiko","full_name":"Ohto, Tatsuhiko","last_name":"Ohto"},{"last_name":"Nagata","full_name":"Nagata, Yuki","first_name":"Yuki"},{"first_name":"Thomas","full_name":"D. Kühne, Thomas","last_name":"D. Kühne"}],"volume":"0","publisher":"Taylor & Francis","date_updated":"2022-01-06T06:51:31Z","doi":"10.1080/00268976.2019.1620358","title":"Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface","type":"journal_article","publication":"Molecular Physics","status":"public","user_id":"71692","department":[{"_id":"304"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13232","language":[{"iso":"eng"}]},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13233","user_id":"71692","department":[{"_id":"304"}],"language":[{"iso":"eng"}],"type":"journal_article","publication":"The Journal of Physical Chemistry A","status":"public","date_updated":"2022-01-06T06:51:31Z","date_created":"2019-09-16T10:32:41Z","author":[{"first_name":"Patrick","last_name":"Müller","full_name":"Müller, Patrick"},{"first_name":"Adam","full_name":"Neuba, Adam","last_name":"Neuba"},{"first_name":"Ulrich","full_name":"Flörke, Ulrich","last_name":"Flörke"},{"full_name":"Henkel, Gerald","last_name":"Henkel","first_name":"Gerald"},{"last_name":"Kühne","full_name":"Kühne, Thomas D.","first_name":"Thomas D."},{"first_name":"Matthias","last_name":"Bauer","full_name":"Bauer, Matthias"}],"volume":123,"title":"Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes","doi":"10.1021/acs.jpca.9b00463","publication_status":"published","issue":"16","year":"2019","citation":{"bibtex":"@article{Müller_Neuba_Flörke_Henkel_Kühne_Bauer_2019, title={Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes}, volume={123}, DOI={<a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">10.1021/acs.jpca.9b00463</a>}, number={16}, journal={The Journal of Physical Chemistry A}, author={Müller, Patrick and Neuba, Adam and Flörke, Ulrich and Henkel, Gerald and Kühne, Thomas D. and Bauer, Matthias}, year={2019}, pages={3575–3581} }","short":"P. Müller, A. Neuba, U. Flörke, G. Henkel, T.D. Kühne, M. Bauer, The Journal of Physical Chemistry A 123 (2019) 3575–3581.","mla":"Müller, Patrick, et al. “Experimental and Theoretical High Energy Resolution Hard X-Ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes.” <i>The Journal of Physical Chemistry A</i>, vol. 123, no. 16, 2019, pp. 3575–81, doi:<a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">10.1021/acs.jpca.9b00463</a>.","apa":"Müller, P., Neuba, A., Flörke, U., Henkel, G., Kühne, T. D., &#38; Bauer, M. (2019). Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes. <i>The Journal of Physical Chemistry A</i>, <i>123</i>(16), 3575–3581. <a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">https://doi.org/10.1021/acs.jpca.9b00463</a>","ieee":"P. Müller, A. Neuba, U. Flörke, G. Henkel, T. D. Kühne, and M. Bauer, “Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes,” <i>The Journal of Physical Chemistry A</i>, vol. 123, no. 16, pp. 3575–3581, 2019.","chicago":"Müller, Patrick, Adam Neuba, Ulrich Flörke, Gerald Henkel, Thomas D. Kühne, and Matthias Bauer. “Experimental and Theoretical High Energy Resolution Hard X-Ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes.” <i>The Journal of Physical Chemistry A</i> 123, no. 16 (2019): 3575–81. <a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">https://doi.org/10.1021/acs.jpca.9b00463</a>.","ama":"Müller P, Neuba A, Flörke U, Henkel G, Kühne TD, Bauer M. Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes. <i>The Journal of Physical Chemistry A</i>. 2019;123(16):3575-3581. doi:<a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">10.1021/acs.jpca.9b00463</a>"},"intvolume":"       123","page":"3575-3581"},{"language":[{"iso":"eng"}],"department":[{"_id":"304"}],"user_id":"71692","_id":"13236","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"status":"public","abstract":[{"lang":"eng","text":"Thermal treatment of hexaazatriphenylene-hexacarbonitrile (HAT-CN) in the temperature range from 500 °C to 700 °C leads to precise control over the degree of condensation{,} and thus atomic construction and porosity of the resulting C2N-type materials. Depending on the condensation temperature of HAT-CN{,} nitrogen contents of more than 30 at% can be reached. In general{,} these carbons show adsorption properties which are comparable to those known for zeolites but their pore size can be adjusted over a wider range. At condensation temperatures of 525 °C and below{,} the uptake of nitrogen gas remains negligible due to size exclusion{,} but the internal pores are large and polarizing enough that CO2 can still adsorb on part of the internal surface. This leads to surprisingly high CO2 adsorption capacities and isosteric heat of adsorption of up to 52 kJ mol−1. Theoretical calculations show that this high binding enthalpy arises from collective stabilization effects from the nitrogen atoms in the C2N layers surrounding the carbon atom in the CO2 molecule and from the electron acceptor properties of the carbon atoms from C2N which are in close proximity to the oxygen atoms in CO2. A true CO2 molecular sieving effect is achieved for the first time in such a metal-free organic material with zeolite-like properties{,} showing an IAST CO2/N2 selectivity of up to 121 at 298 K and a N2/CO2 ratio of 90/10 without notable changes in the CO2 adsorption properities over 80 cycles."}],"publication":"Sustainable Energy Fuels","type":"journal_article","doi":"10.1039/C9SE00486F","title":"Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design","author":[{"first_name":"Ralf","last_name":"Walczak","full_name":"Walczak, Ralf"},{"first_name":"Aleksandr","last_name":"Savateev","full_name":"Savateev, Aleksandr"},{"full_name":"Heske, Julian Joachim","id":"53238","last_name":"Heske","first_name":"Julian Joachim"},{"full_name":"Tarakina, Nadezda V.","last_name":"Tarakina","first_name":"Nadezda V."},{"first_name":"Sudhir","last_name":"Sahoo","full_name":"Sahoo, Sudhir"},{"last_name":"Epping","full_name":"Epping, Jan D.","first_name":"Jan D."},{"first_name":"Thomas","full_name":"Kühne, Thomas","id":"49079","last_name":"Kühne"},{"first_name":"Bogdan","full_name":"Kurpil, Bogdan","last_name":"Kurpil"},{"first_name":"Markus","full_name":"Antonietti, Markus","last_name":"Antonietti"},{"full_name":"Oschatz, Martin","last_name":"Oschatz","first_name":"Martin"}],"date_created":"2019-09-16T10:39:25Z","publisher":"The Royal Society of Chemistry","date_updated":"2022-01-06T06:51:31Z","page":"-","citation":{"ama":"Walczak R, Savateev A, Heske JJ, et al. Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design. <i>Sustainable Energy Fuels</i>. 2019. doi:<a href=\"https://doi.org/10.1039/C9SE00486F\">10.1039/C9SE00486F</a>","chicago":"Walczak, Ralf, Aleksandr Savateev, Julian Joachim Heske, Nadezda V. Tarakina, Sudhir Sahoo, Jan D. Epping, Thomas Kühne, Bogdan Kurpil, Markus Antonietti, and Martin Oschatz. “Controlling the Strength of Interaction between Carbon Dioxide and Nitrogen-Rich Carbon Materials by Molecular Design.” <i>Sustainable Energy Fuels</i>, 2019. <a href=\"https://doi.org/10.1039/C9SE00486F\">https://doi.org/10.1039/C9SE00486F</a>.","ieee":"R. Walczak <i>et al.</i>, “Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design,” <i>Sustainable Energy Fuels</i>, 2019.","apa":"Walczak, R., Savateev, A., Heske, J. J., Tarakina, N. V., Sahoo, S., Epping, J. D., … Oschatz, M. (2019). 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Light-Responsive Serinol-Based Polycarbonate and Polyester as Degradable Scaffolds. <i>ACS Applied Bio Materials</i>. 2019;2(7):3038-3051. doi:<a href=\"https://doi.org/10.1021/acsabm.9b00347\">10.1021/acsabm.9b00347</a>","chicago":"Sun, Jingjiang, Dimitri Jung, Timo Schoppa, Juliane Anderski, Marie-Theres Picker, Yi Ren, Dennis Mulac, Nora Stein, Klaus Langer, and Dirk Kuckling. “Light-Responsive Serinol-Based Polycarbonate and Polyester as Degradable Scaffolds.” <i>ACS Applied Bio Materials</i> 2, no. 7 (2019): 3038–51. <a href=\"https://doi.org/10.1021/acsabm.9b00347\">https://doi.org/10.1021/acsabm.9b00347</a>.","ieee":"J. Sun <i>et al.</i>, “Light-Responsive Serinol-Based Polycarbonate and Polyester as Degradable Scaffolds,” <i>ACS Applied Bio Materials</i>, vol. 2, no. 7, pp. 3038–3051, 2019, doi: <a href=\"https://doi.org/10.1021/acsabm.9b00347\">10.1021/acsabm.9b00347</a>.","bibtex":"@article{Sun_Jung_Schoppa_Anderski_Picker_Ren_Mulac_Stein_Langer_Kuckling_2019, title={Light-Responsive Serinol-Based Polycarbonate and Polyester as Degradable Scaffolds}, volume={2}, DOI={<a href=\"https://doi.org/10.1021/acsabm.9b00347\">10.1021/acsabm.9b00347</a>}, number={7}, journal={ACS Applied Bio Materials}, publisher={American Chemical Society (ACS)}, author={Sun, Jingjiang and Jung, Dimitri and Schoppa, Timo and Anderski, Juliane and Picker, Marie-Theres and Ren, Yi and Mulac, Dennis and Stein, Nora and Langer, Klaus and Kuckling, Dirk}, year={2019}, pages={3038–3051} }","mla":"Sun, Jingjiang, et al. “Light-Responsive Serinol-Based Polycarbonate and Polyester as Degradable Scaffolds.” <i>ACS Applied Bio Materials</i>, vol. 2, no. 7, American Chemical Society (ACS), 2019, pp. 3038–51, doi:<a href=\"https://doi.org/10.1021/acsabm.9b00347\">10.1021/acsabm.9b00347</a>.","short":"J. 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Preparation of Light-Responsive Aliphatic Polycarbonate via Versatile Polycondensation for Controlled Degradation. <i>Macromolecular Chemistry and Physics</i>. 2019;220(5). doi:<a href=\"https://doi.org/10.1002/macp.201800539\">10.1002/macp.201800539</a>","chicago":"Sun, Jingjiang, Juliane Anderski, Marie-Theres Picker, Klaus Langer, and Dirk Kuckling. “Preparation of Light-Responsive Aliphatic Polycarbonate via Versatile Polycondensation for Controlled Degradation.” <i>Macromolecular Chemistry and Physics</i> 220, no. 5 (2019). <a href=\"https://doi.org/10.1002/macp.201800539\">https://doi.org/10.1002/macp.201800539</a>.","ieee":"J. Sun, J. Anderski, M.-T. Picker, K. Langer, and D. Kuckling, “Preparation of Light-Responsive Aliphatic Polycarbonate via Versatile Polycondensation for Controlled Degradation,” <i>Macromolecular Chemistry and Physics</i>, vol. 220, no. 5, Art. no. 1800539, 2019, doi: <a href=\"https://doi.org/10.1002/macp.201800539\">10.1002/macp.201800539</a>.","mla":"Sun, Jingjiang, et al. “Preparation of Light-Responsive Aliphatic Polycarbonate via Versatile Polycondensation for Controlled Degradation.” <i>Macromolecular Chemistry and Physics</i>, vol. 220, no. 5, 1800539, Wiley, 2019, doi:<a href=\"https://doi.org/10.1002/macp.201800539\">10.1002/macp.201800539</a>.","bibtex":"@article{Sun_Anderski_Picker_Langer_Kuckling_2019, title={Preparation of Light-Responsive Aliphatic Polycarbonate via Versatile Polycondensation for Controlled Degradation}, volume={220}, DOI={<a href=\"https://doi.org/10.1002/macp.201800539\">10.1002/macp.201800539</a>}, number={51800539}, journal={Macromolecular Chemistry and Physics}, publisher={Wiley}, author={Sun, Jingjiang and Anderski, Juliane and Picker, Marie-Theres and Langer, Klaus and Kuckling, Dirk}, year={2019} }","short":"J. Sun, J. Anderski, M.-T. Picker, K. Langer, D. Kuckling, Macromolecular Chemistry and Physics 220 (2019).","apa":"Sun, J., Anderski, J., Picker, M.-T., Langer, K., &#38; Kuckling, D. (2019). Preparation of Light-Responsive Aliphatic Polycarbonate via Versatile Polycondensation for Controlled Degradation. <i>Macromolecular Chemistry and Physics</i>, <i>220</i>(5), Article 1800539. <a href=\"https://doi.org/10.1002/macp.201800539\">https://doi.org/10.1002/macp.201800539</a>"},"year":"2019","issue":"5","publication_identifier":{"issn":["1022-1352"]},"publication_status":"published","doi":"10.1002/macp.201800539","title":"Preparation of Light-Responsive Aliphatic Polycarbonate via Versatile Polycondensation for Controlled Degradation","volume":220,"author":[{"first_name":"Jingjiang","last_name":"Sun","full_name":"Sun, Jingjiang"},{"first_name":"Juliane","last_name":"Anderski","full_name":"Anderski, Juliane"},{"first_name":"Marie-Theres","full_name":"Picker, Marie-Theres","last_name":"Picker"},{"first_name":"Klaus","last_name":"Langer","full_name":"Langer, Klaus"},{"last_name":"Kuckling","id":"287","full_name":"Kuckling, Dirk","first_name":"Dirk"}],"date_created":"2022-04-21T09:09:59Z","date_updated":"2022-04-21T09:11:32Z","publisher":"Wiley"}]